5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C16H15N3OS — CID 63080018

IUPAC5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1ccc(-c2nc(C3(c4ccccc4)CCC3)no2)s1
InChIInChI=1S/C16H15N3OS/c17-13-8-7-12(21-13)14-18-15(19-20-14)16(9-4-10-16)11-5-2-1-3-6-11/h1-3,5-8H,4,9-10,17H2
InChIKeyXKCBSCGBNSQZJX-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.85
Rot. Bonds3

About 5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 63080018) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID63080018
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1ccc(-c2nc(C3(c4ccccc4)CCC3)no2)s1
InChIInChI=1S/C16H15N3OS/c17-13-8-7-12(21-13)14-18-15(19-20-14)16(9-4-10-16)11-5-2-1-3-6-11/h1-3,5-8H,4,9-10,17H2
InChIKeyXKCBSCGBNSQZJX-UHFFFAOYSA-N
XLogP3.85
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63079286
[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 55181346
3-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350169
4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 114915917
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 55243061
2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66166712
(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 95010794
5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide
CID 120863952
4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 174552789
1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349809
(1S)-3-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836883

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 63080018) is 5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Nc1ccc(-c2nc(C3(c4ccccc4)CCC3)no2)s1.
What is the InChIKey of 5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is XKCBSCGBNSQZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-13-8-7-12(21-13)14-18-15(19-20-14)16(9-4-10-16)11-5-2-1-3-6-11/h1-3,5-8H,4,9-10,17H2.
What are the key properties of 5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 297.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 63080018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).